Information card for entry 4349503

Structure parameters

• Chemical name: Ni-SSC
• Formula: C75 H92 N18 Ni3 O4 S12
• Calculated formula: C75 H90 N18 Ni3 O4 S12
• Title of publication: Metal‒organic redox vehicles to encapsulate organic dyes for photocatalytic protons and carbon dioxide reduction
• Authors of publication: Yu, Hao; He, Cheng; Xu, Jing; Duan, Chunying; Reek, Joost N. H.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 1256
• a: 18.28 ± 0.02 Å
• b: 18.49 ± 0.02 Å
• c: 19.33 ± 0.02 Å
• α: 112.371 ± 0.012°
• β: 114.135 ± 0.011°
• γ: 95.882 ± 0.011°
• Cell volume: 5249 ± 10 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.325
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.2445
• Weighted residual factors for all reflections included in the refinement: 0.3951
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No